USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00256 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc=-0.00254 USER MOD Single : A 54 SER OG : rot 75:sc= 0.916 USER MOD Single : A 69 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.149) USER MOD Single : A 74 ASN : amide:sc= -0.95 K(o=-0.95,f=-0.12) USER MOD Single : A 79 GLN : amide:sc=-0.00782 K(o=-0.0078,f=-1.4!) USER MOD Single : A 83 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.23) USER MOD Single : A 84 HIS : no HE2:sc= -7.84! C(o=-7.8!,f=-6.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 139:sc= -2.54 (180deg=-5.73!) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 13 -8.047 -6.631 -16.197 1.00 0.00 N ATOM 149 CA GLU A 13 -7.111 -6.903 -15.120 1.00 0.00 C ATOM 150 C GLU A 13 -6.369 -5.625 -14.726 1.00 0.00 C ATOM 151 O GLU A 13 -5.956 -4.852 -15.589 1.00 0.00 O ATOM 152 CB GLU A 13 -6.129 -8.009 -15.513 1.00 0.00 C ATOM 153 CG GLU A 13 -4.978 -7.448 -16.350 1.00 0.00 C ATOM 154 CD GLU A 13 -4.056 -8.568 -16.835 1.00 0.00 C ATOM 155 OE1 GLU A 13 -4.388 -9.164 -17.882 1.00 0.00 O ATOM 156 OE2 GLU A 13 -3.038 -8.802 -16.147 1.00 0.00 O ATOM 0 HA GLU A 13 -7.674 -7.253 -14.255 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.733 -8.484 -14.616 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.652 -8.781 -16.078 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.378 -6.905 -17.206 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.407 -6.733 -15.757 1.00 0.00 H new ATOM 163 N GLU A 14 -6.221 -5.443 -13.422 1.00 0.00 N ATOM 164 CA GLU A 14 -5.535 -4.271 -12.903 1.00 0.00 C ATOM 165 C GLU A 14 -4.328 -3.932 -13.779 1.00 0.00 C ATOM 166 O GLU A 14 -3.800 -4.796 -14.477 1.00 0.00 O ATOM 167 CB GLU A 14 -5.114 -4.483 -11.447 1.00 0.00 C ATOM 168 CG GLU A 14 -6.205 -4.005 -10.486 1.00 0.00 C ATOM 169 CD GLU A 14 -6.153 -4.782 -9.169 1.00 0.00 C ATOM 170 OE1 GLU A 14 -5.256 -4.466 -8.358 1.00 0.00 O ATOM 171 OE2 GLU A 14 -7.013 -5.674 -9.002 1.00 0.00 O ATOM 0 H GLU A 14 -6.564 -6.087 -12.709 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.226 -3.428 -12.928 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.909 -5.540 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.188 -3.942 -11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.081 -2.940 -10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.184 -4.132 -10.949 1.00 0.00 H new ATOM 178 N GLU A 15 -3.926 -2.671 -13.714 1.00 0.00 N ATOM 179 CA GLU A 15 -2.791 -2.206 -14.493 1.00 0.00 C ATOM 180 C GLU A 15 -1.718 -1.622 -13.572 1.00 0.00 C ATOM 181 O GLU A 15 -1.964 -1.406 -12.386 1.00 0.00 O ATOM 182 CB GLU A 15 -3.229 -1.182 -15.543 1.00 0.00 C ATOM 183 CG GLU A 15 -4.209 -0.170 -14.946 1.00 0.00 C ATOM 184 CD GLU A 15 -4.642 0.857 -15.994 1.00 0.00 C ATOM 185 OE1 GLU A 15 -5.381 0.450 -16.917 1.00 0.00 O ATOM 186 OE2 GLU A 15 -4.225 2.026 -15.849 1.00 0.00 O ATOM 0 H GLU A 15 -4.366 -1.957 -13.134 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.364 -3.059 -15.021 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.355 -0.661 -15.934 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.697 -1.695 -16.383 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.085 -0.691 -14.559 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.743 0.340 -14.103 1.00 0.00 H new ATOM 193 N GLU A 16 -0.551 -1.384 -14.151 1.00 0.00 N ATOM 194 CA GLU A 16 0.560 -0.830 -13.397 1.00 0.00 C ATOM 195 C GLU A 16 0.516 0.699 -13.432 1.00 0.00 C ATOM 196 O GLU A 16 0.313 1.293 -14.490 1.00 0.00 O ATOM 197 CB GLU A 16 1.897 -1.352 -13.927 1.00 0.00 C ATOM 198 CG GLU A 16 2.171 -2.770 -13.421 1.00 0.00 C ATOM 199 CD GLU A 16 2.756 -3.645 -14.532 1.00 0.00 C ATOM 200 OE1 GLU A 16 2.214 -3.572 -15.656 1.00 0.00 O ATOM 201 OE2 GLU A 16 3.731 -4.366 -14.232 1.00 0.00 O ATOM 0 H GLU A 16 -0.350 -1.565 -15.135 1.00 0.00 H new ATOM 0 HA GLU A 16 0.466 -1.153 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.887 -1.346 -15.017 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.702 -0.688 -13.612 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.863 -2.732 -12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.246 -3.214 -13.053 1.00 0.00 H new ATOM 208 N LEU A 17 0.708 1.292 -12.263 1.00 0.00 N ATOM 209 CA LEU A 17 0.693 2.740 -12.147 1.00 0.00 C ATOM 210 C LEU A 17 1.890 3.194 -11.310 1.00 0.00 C ATOM 211 O LEU A 17 2.383 2.444 -10.468 1.00 0.00 O ATOM 212 CB LEU A 17 -0.655 3.220 -11.604 1.00 0.00 C ATOM 213 CG LEU A 17 -1.878 2.405 -12.028 1.00 0.00 C ATOM 214 CD1 LEU A 17 -3.037 2.606 -11.050 1.00 0.00 C ATOM 215 CD2 LEU A 17 -2.280 2.728 -13.468 1.00 0.00 C ATOM 0 H LEU A 17 0.875 0.796 -11.388 1.00 0.00 H new ATOM 0 HA LEU A 17 0.798 3.201 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.605 3.223 -10.515 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.804 4.253 -11.919 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.611 1.349 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.894 2.016 -11.375 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.732 2.286 -10.054 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.312 3.660 -11.024 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.152 2.135 -13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.521 3.788 -13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.454 2.492 -14.138 1.00 0.00 H new ATOM 227 N THR A 18 2.324 4.418 -11.571 1.00 0.00 N ATOM 228 CA THR A 18 3.455 4.980 -10.851 1.00 0.00 C ATOM 229 C THR A 18 3.063 6.304 -10.192 1.00 0.00 C ATOM 230 O THR A 18 2.405 7.139 -10.811 1.00 0.00 O ATOM 231 CB THR A 18 4.621 5.112 -11.833 1.00 0.00 C ATOM 232 OG1 THR A 18 4.931 3.767 -12.186 1.00 0.00 O ATOM 233 CG2 THR A 18 5.897 5.625 -11.161 1.00 0.00 C ATOM 0 H THR A 18 1.913 5.036 -12.271 1.00 0.00 H new ATOM 0 HA THR A 18 3.769 4.328 -10.036 1.00 0.00 H new ATOM 0 HB THR A 18 4.340 5.787 -12.642 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.676 3.759 -12.822 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.693 5.700 -11.902 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.710 6.608 -10.728 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.197 4.933 -10.374 1.00 0.00 H new ATOM 241 N LEU A 19 3.483 6.454 -8.944 1.00 0.00 N ATOM 242 CA LEU A 19 3.184 7.662 -8.194 1.00 0.00 C ATOM 243 C LEU A 19 4.462 8.170 -7.524 1.00 0.00 C ATOM 244 O LEU A 19 5.370 7.390 -7.238 1.00 0.00 O ATOM 245 CB LEU A 19 2.034 7.415 -7.217 1.00 0.00 C ATOM 246 CG LEU A 19 0.653 7.212 -7.844 1.00 0.00 C ATOM 247 CD1 LEU A 19 -0.335 6.644 -6.823 1.00 0.00 C ATOM 248 CD2 LEU A 19 0.142 8.508 -8.477 1.00 0.00 C ATOM 0 H LEU A 19 4.028 5.759 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 19 2.839 8.450 -8.863 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.273 6.535 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.979 8.260 -6.531 1.00 0.00 H new ATOM 0 HG LEU A 19 0.746 6.478 -8.644 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.308 6.509 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.029 5.682 -6.461 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.430 7.335 -5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.841 8.336 -8.915 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.068 9.282 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.834 8.831 -9.254 1.00 0.00 H new ATOM 260 N THR A 20 4.493 9.474 -7.292 1.00 0.00 N ATOM 261 CA THR A 20 5.645 10.095 -6.660 1.00 0.00 C ATOM 262 C THR A 20 5.209 10.911 -5.442 1.00 0.00 C ATOM 263 O THR A 20 4.406 11.835 -5.563 1.00 0.00 O ATOM 264 CB THR A 20 6.373 10.926 -7.719 1.00 0.00 C ATOM 265 OG1 THR A 20 6.489 10.045 -8.833 1.00 0.00 O ATOM 266 CG2 THR A 20 7.822 11.228 -7.330 1.00 0.00 C ATOM 0 H THR A 20 3.739 10.118 -7.530 1.00 0.00 H new ATOM 0 HA THR A 20 6.339 9.346 -6.279 1.00 0.00 H new ATOM 0 HB THR A 20 5.837 11.861 -7.879 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.948 10.504 -9.567 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.294 11.820 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.839 11.787 -6.394 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.367 10.293 -7.204 1.00 0.00 H new ATOM 274 N ILE A 21 5.758 10.540 -4.294 1.00 0.00 N ATOM 275 CA ILE A 21 5.436 11.226 -3.054 1.00 0.00 C ATOM 276 C ILE A 21 6.612 12.118 -2.650 1.00 0.00 C ATOM 277 O ILE A 21 7.756 11.843 -3.008 1.00 0.00 O ATOM 278 CB ILE A 21 5.028 10.220 -1.976 1.00 0.00 C ATOM 279 CG1 ILE A 21 3.961 9.257 -2.500 1.00 0.00 C ATOM 280 CG2 ILE A 21 4.578 10.936 -0.701 1.00 0.00 C ATOM 281 CD1 ILE A 21 4.146 7.858 -1.910 1.00 0.00 C ATOM 0 H ILE A 21 6.424 9.773 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 21 4.573 11.878 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 21 5.902 9.622 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.970 9.634 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.014 9.207 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.293 10.198 0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.396 11.546 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.723 11.574 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.374 7.194 -2.299 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.128 7.474 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.068 7.908 -0.824 1.00 0.00 H new ATOM 293 N LEU A 22 6.289 13.168 -1.910 1.00 0.00 N ATOM 294 CA LEU A 22 7.304 14.102 -1.453 1.00 0.00 C ATOM 295 C LEU A 22 7.612 13.833 0.022 1.00 0.00 C ATOM 296 O LEU A 22 6.755 14.022 0.883 1.00 0.00 O ATOM 297 CB LEU A 22 6.875 15.542 -1.738 1.00 0.00 C ATOM 298 CG LEU A 22 6.963 15.992 -3.198 1.00 0.00 C ATOM 299 CD1 LEU A 22 8.202 16.860 -3.430 1.00 0.00 C ATOM 300 CD2 LEU A 22 6.919 14.791 -4.145 1.00 0.00 C ATOM 0 H LEU A 22 5.339 13.393 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 22 8.232 13.955 -2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.846 15.667 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.491 16.210 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 22 6.092 16.609 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.241 17.167 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.151 17.744 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.098 16.289 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.983 15.138 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.758 14.129 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.984 14.249 -4.002 1.00 0.00 H new ATOM 312 N ARG A 23 8.838 13.394 0.267 1.00 0.00 N ATOM 313 CA ARG A 23 9.270 13.097 1.622 1.00 0.00 C ATOM 314 C ARG A 23 9.475 14.393 2.410 1.00 0.00 C ATOM 315 O ARG A 23 10.251 15.255 2.003 1.00 0.00 O ATOM 316 CB ARG A 23 10.574 12.297 1.622 1.00 0.00 C ATOM 317 CG ARG A 23 10.539 11.191 2.678 1.00 0.00 C ATOM 318 CD ARG A 23 11.769 10.288 2.568 1.00 0.00 C ATOM 319 NE ARG A 23 12.045 9.646 3.873 1.00 0.00 N ATOM 320 CZ ARG A 23 12.686 10.247 4.884 1.00 0.00 C ATOM 321 NH1 ARG A 23 13.122 11.507 4.747 1.00 0.00 N ATOM 322 NH2 ARG A 23 12.893 9.589 6.033 1.00 0.00 N ATOM 0 H ARG A 23 9.546 13.237 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 23 8.491 12.499 2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.736 11.859 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.414 12.964 1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.497 11.634 3.673 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.634 10.595 2.556 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.604 9.526 1.806 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.633 10.873 2.251 1.00 0.00 H new ATOM 0 HE ARG A 23 11.727 8.687 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.966 12.009 3.873 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.610 11.964 5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.562 8.630 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.381 10.047 6.802 1.00 0.00 H new ATOM 381 N LEU A 28 6.041 9.170 4.528 1.00 0.00 N ATOM 382 CA LEU A 28 4.770 9.048 3.834 1.00 0.00 C ATOM 383 C LEU A 28 3.634 9.029 4.858 1.00 0.00 C ATOM 384 O LEU A 28 3.853 9.296 6.038 1.00 0.00 O ATOM 385 CB LEU A 28 4.782 7.833 2.904 1.00 0.00 C ATOM 386 CG LEU A 28 6.068 7.612 2.106 1.00 0.00 C ATOM 387 CD1 LEU A 28 5.981 6.333 1.271 1.00 0.00 C ATOM 388 CD2 LEU A 28 6.398 8.835 1.248 1.00 0.00 C ATOM 0 HA LEU A 28 4.603 9.911 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.591 6.941 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.954 7.930 2.202 1.00 0.00 H new ATOM 0 HG LEU A 28 6.890 7.482 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.908 6.199 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.827 5.478 1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.146 6.409 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.317 8.651 0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.582 9.021 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.531 9.705 1.891 1.00 0.00 H new ATOM 400 N GLY A 29 2.445 8.709 4.368 1.00 0.00 N ATOM 401 CA GLY A 29 1.273 8.651 5.227 1.00 0.00 C ATOM 402 C GLY A 29 0.297 7.573 4.750 1.00 0.00 C ATOM 403 O GLY A 29 -0.893 7.836 4.590 1.00 0.00 O ATOM 0 H GLY A 29 2.268 8.487 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.579 8.442 6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.775 9.620 5.234 1.00 0.00 H new ATOM 407 N ILE A 30 0.839 6.383 4.537 1.00 0.00 N ATOM 408 CA ILE A 30 0.031 5.264 4.082 1.00 0.00 C ATOM 409 C ILE A 30 0.415 4.010 4.868 1.00 0.00 C ATOM 410 O ILE A 30 1.562 3.863 5.287 1.00 0.00 O ATOM 411 CB ILE A 30 0.149 5.100 2.565 1.00 0.00 C ATOM 412 CG1 ILE A 30 1.600 5.261 2.108 1.00 0.00 C ATOM 413 CG2 ILE A 30 -0.792 6.059 1.834 1.00 0.00 C ATOM 414 CD1 ILE A 30 1.954 4.230 1.034 1.00 0.00 C ATOM 0 H ILE A 30 1.827 6.169 4.671 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.025 5.452 4.278 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.160 4.087 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.752 6.267 1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.269 5.147 2.961 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.688 5.921 0.758 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.821 5.854 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.539 7.087 2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.991 4.366 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.824 3.226 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.300 4.363 0.172 1.00 0.00 H new ATOM 426 N SER A 31 -0.566 3.137 5.046 1.00 0.00 N ATOM 427 CA SER A 31 -0.345 1.900 5.775 1.00 0.00 C ATOM 428 C SER A 31 -0.348 0.715 4.807 1.00 0.00 C ATOM 429 O SER A 31 -1.187 0.643 3.910 1.00 0.00 O ATOM 430 CB SER A 31 -1.406 1.703 6.860 1.00 0.00 C ATOM 431 OG SER A 31 -0.847 1.762 8.169 1.00 0.00 O ATOM 0 H SER A 31 -1.516 3.262 4.698 1.00 0.00 H new ATOM 0 HA SER A 31 0.628 1.959 6.263 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.175 2.469 6.759 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.896 0.740 6.718 1.00 0.00 H new ATOM 0 HG SER A 31 -1.556 1.634 8.833 1.00 0.00 H new ATOM 437 N ILE A 32 0.600 -0.186 5.022 1.00 0.00 N ATOM 438 CA ILE A 32 0.716 -1.364 4.180 1.00 0.00 C ATOM 439 C ILE A 32 0.237 -2.591 4.958 1.00 0.00 C ATOM 440 O ILE A 32 0.166 -2.563 6.186 1.00 0.00 O ATOM 441 CB ILE A 32 2.141 -1.497 3.639 1.00 0.00 C ATOM 442 CG1 ILE A 32 3.158 -1.556 4.781 1.00 0.00 C ATOM 443 CG2 ILE A 32 2.458 -0.376 2.647 1.00 0.00 C ATOM 444 CD1 ILE A 32 4.545 -1.938 4.261 1.00 0.00 C ATOM 0 H ILE A 32 1.294 -0.124 5.767 1.00 0.00 H new ATOM 0 HA ILE A 32 0.074 -1.271 3.304 1.00 0.00 H new ATOM 0 HB ILE A 32 2.213 -2.439 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.207 -0.588 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.832 -2.282 5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.477 -0.494 2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.761 -0.423 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.362 0.589 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.249 -1.973 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.498 -2.917 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.878 -1.197 3.535 1.00 0.00 H new ATOM 456 N ALA A 33 -0.079 -3.640 4.212 1.00 0.00 N ATOM 457 CA ALA A 33 -0.549 -4.874 4.817 1.00 0.00 C ATOM 458 C ALA A 33 -0.269 -6.041 3.867 1.00 0.00 C ATOM 459 O ALA A 33 -0.249 -5.864 2.650 1.00 0.00 O ATOM 460 CB ALA A 33 -2.035 -4.743 5.157 1.00 0.00 C ATOM 0 H ALA A 33 -0.019 -3.660 3.194 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.018 -5.071 5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.387 -5.669 5.611 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.177 -3.919 5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.601 -4.547 4.246 1.00 0.00 H new ATOM 466 N GLY A 34 -0.061 -7.207 4.460 1.00 0.00 N ATOM 467 CA GLY A 34 0.217 -8.403 3.682 1.00 0.00 C ATOM 468 C GLY A 34 1.637 -8.910 3.943 1.00 0.00 C ATOM 469 O GLY A 34 1.951 -9.343 5.050 1.00 0.00 O ATOM 0 H GLY A 34 -0.079 -7.350 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.503 -9.181 3.935 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.093 -8.188 2.621 1.00 0.00 H new ATOM 473 N GLY A 35 2.456 -8.839 2.904 1.00 0.00 N ATOM 474 CA GLY A 35 3.835 -9.285 3.007 1.00 0.00 C ATOM 475 C GLY A 35 3.905 -10.772 3.363 1.00 0.00 C ATOM 476 O GLY A 35 3.125 -11.255 4.182 1.00 0.00 O ATOM 0 H GLY A 35 2.191 -8.479 1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.350 -9.109 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.354 -8.701 3.767 1.00 0.00 H new ATOM 480 N LYS A 36 4.848 -11.455 2.730 1.00 0.00 N ATOM 481 CA LYS A 36 5.030 -12.877 2.970 1.00 0.00 C ATOM 482 C LYS A 36 5.122 -13.128 4.477 1.00 0.00 C ATOM 483 O LYS A 36 5.827 -12.412 5.187 1.00 0.00 O ATOM 484 CB LYS A 36 6.232 -13.403 2.184 1.00 0.00 C ATOM 485 CG LYS A 36 6.560 -14.843 2.582 1.00 0.00 C ATOM 486 CD LYS A 36 7.996 -15.206 2.196 1.00 0.00 C ATOM 487 CE LYS A 36 8.120 -15.419 0.686 1.00 0.00 C ATOM 488 NZ LYS A 36 7.997 -16.856 0.353 1.00 0.00 N ATOM 0 H LYS A 36 5.494 -11.051 2.052 1.00 0.00 H new ATOM 0 HA LYS A 36 4.170 -13.438 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.021 -13.356 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.097 -12.766 2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.426 -14.966 3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.865 -15.526 2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.673 -14.412 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.300 -16.112 2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.346 -14.852 0.168 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.080 -15.040 0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.083 -16.983 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.751 -17.389 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.070 -17.207 0.668 1.00 0.00 H new ATOM 502 N GLY A 37 4.400 -14.146 4.920 1.00 0.00 N ATOM 503 CA GLY A 37 4.392 -14.501 6.329 1.00 0.00 C ATOM 504 C GLY A 37 3.090 -14.057 6.998 1.00 0.00 C ATOM 505 O GLY A 37 2.373 -14.875 7.572 1.00 0.00 O ATOM 0 H GLY A 37 3.816 -14.737 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.511 -15.579 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.240 -14.035 6.830 1.00 0.00 H new ATOM 509 N SER A 38 2.824 -12.763 6.903 1.00 0.00 N ATOM 510 CA SER A 38 1.621 -12.200 7.492 1.00 0.00 C ATOM 511 C SER A 38 0.409 -12.522 6.615 1.00 0.00 C ATOM 512 O SER A 38 0.561 -12.982 5.484 1.00 0.00 O ATOM 513 CB SER A 38 1.754 -10.688 7.679 1.00 0.00 C ATOM 514 OG SER A 38 1.887 -10.329 9.051 1.00 0.00 O ATOM 0 H SER A 38 3.422 -12.087 6.426 1.00 0.00 H new ATOM 0 HA SER A 38 1.480 -12.649 8.475 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.621 -10.329 7.125 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.879 -10.192 7.258 1.00 0.00 H new ATOM 0 HG SER A 38 1.971 -9.356 9.128 1.00 0.00 H new ATOM 520 N THR A 39 -0.767 -12.267 7.169 1.00 0.00 N ATOM 521 CA THR A 39 -2.004 -12.523 6.451 1.00 0.00 C ATOM 522 C THR A 39 -2.129 -11.582 5.252 1.00 0.00 C ATOM 523 O THR A 39 -1.683 -10.437 5.307 1.00 0.00 O ATOM 524 CB THR A 39 -3.161 -12.399 7.445 1.00 0.00 C ATOM 525 OG1 THR A 39 -3.646 -13.733 7.581 1.00 0.00 O ATOM 526 CG2 THR A 39 -4.349 -11.628 6.866 1.00 0.00 C ATOM 0 H THR A 39 -0.890 -11.886 8.107 1.00 0.00 H new ATOM 0 HA THR A 39 -2.020 -13.531 6.036 1.00 0.00 H new ATOM 0 HB THR A 39 -2.811 -11.902 8.350 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.397 -13.745 8.210 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.142 -11.569 7.611 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.031 -10.622 6.593 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.721 -12.144 5.981 1.00 0.00 H new ATOM 534 N PRO A 40 -2.756 -12.113 4.168 1.00 0.00 N ATOM 535 CA PRO A 40 -2.946 -11.333 2.957 1.00 0.00 C ATOM 536 C PRO A 40 -4.061 -10.301 3.139 1.00 0.00 C ATOM 537 O PRO A 40 -4.910 -10.447 4.017 1.00 0.00 O ATOM 538 CB PRO A 40 -3.254 -12.355 1.875 1.00 0.00 C ATOM 539 CG PRO A 40 -3.683 -13.618 2.604 1.00 0.00 C ATOM 540 CD PRO A 40 -3.298 -13.465 4.067 1.00 0.00 C ATOM 0 HA PRO A 40 -2.067 -10.746 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.044 -11.998 1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.378 -12.541 1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.758 -13.769 2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.197 -14.492 2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.161 -13.595 4.719 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.560 -14.211 4.362 1.00 0.00 H new ATOM 548 N TYR A 41 -4.022 -9.280 2.295 1.00 0.00 N ATOM 549 CA TYR A 41 -5.018 -8.224 2.351 1.00 0.00 C ATOM 550 C TYR A 41 -6.194 -8.529 1.421 1.00 0.00 C ATOM 551 O TYR A 41 -7.321 -8.111 1.683 1.00 0.00 O ATOM 552 CB TYR A 41 -4.315 -6.955 1.866 1.00 0.00 C ATOM 553 CG TYR A 41 -5.247 -5.753 1.696 1.00 0.00 C ATOM 554 CD1 TYR A 41 -5.885 -5.540 0.490 1.00 0.00 C ATOM 555 CD2 TYR A 41 -5.450 -4.883 2.747 1.00 0.00 C ATOM 556 CE1 TYR A 41 -6.762 -4.409 0.331 1.00 0.00 C ATOM 557 CE2 TYR A 41 -6.327 -3.752 2.587 1.00 0.00 C ATOM 558 CZ TYR A 41 -6.940 -3.571 1.387 1.00 0.00 C ATOM 559 OH TYR A 41 -7.769 -2.503 1.236 1.00 0.00 O ATOM 0 H TYR A 41 -3.316 -9.162 1.568 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.413 -8.123 3.362 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.528 -6.694 2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.829 -7.163 0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.726 -6.221 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.951 -5.050 3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.267 -4.230 -0.607 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.494 -3.063 3.402 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.801 -1.993 2.072 1.00 0.00 H new ATOM 569 N LYS A 42 -5.891 -9.254 0.355 1.00 0.00 N ATOM 570 CA LYS A 42 -6.909 -9.620 -0.615 1.00 0.00 C ATOM 571 C LYS A 42 -6.681 -11.064 -1.067 1.00 0.00 C ATOM 572 O LYS A 42 -5.560 -11.444 -1.401 1.00 0.00 O ATOM 573 CB LYS A 42 -6.939 -8.613 -1.766 1.00 0.00 C ATOM 574 CG LYS A 42 -8.193 -7.740 -1.699 1.00 0.00 C ATOM 575 CD LYS A 42 -8.620 -7.284 -3.096 1.00 0.00 C ATOM 576 CE LYS A 42 -8.457 -5.771 -3.253 1.00 0.00 C ATOM 577 NZ LYS A 42 -9.754 -5.087 -3.052 1.00 0.00 N ATOM 0 H LYS A 42 -4.955 -9.598 0.141 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.899 -9.580 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.051 -7.983 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.911 -9.143 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.004 -8.298 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.001 -6.870 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.022 -7.798 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.659 -7.561 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.728 -5.401 -2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.068 -5.542 -4.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.626 -4.061 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.439 -5.428 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.110 -5.291 -2.096 1.00 0.00 H new ATOM 591 N GLY A 43 -7.763 -11.829 -1.063 1.00 0.00 N ATOM 592 CA GLY A 43 -7.696 -13.223 -1.468 1.00 0.00 C ATOM 593 C GLY A 43 -6.415 -13.882 -0.952 1.00 0.00 C ATOM 594 O GLY A 43 -5.894 -13.500 0.094 1.00 0.00 O ATOM 0 H GLY A 43 -8.691 -11.510 -0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.565 -13.759 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.732 -13.292 -2.555 1.00 0.00 H new ATOM 598 N ASP A 44 -5.945 -14.862 -1.711 1.00 0.00 N ATOM 599 CA ASP A 44 -4.735 -15.578 -1.343 1.00 0.00 C ATOM 600 C ASP A 44 -3.544 -14.975 -2.091 1.00 0.00 C ATOM 601 O ASP A 44 -2.897 -15.655 -2.886 1.00 0.00 O ATOM 602 CB ASP A 44 -4.833 -17.056 -1.724 1.00 0.00 C ATOM 603 CG ASP A 44 -5.383 -17.328 -3.126 1.00 0.00 C ATOM 604 OD1 ASP A 44 -6.622 -17.245 -3.275 1.00 0.00 O ATOM 605 OD2 ASP A 44 -4.553 -17.613 -4.016 1.00 0.00 O ATOM 0 H ASP A 44 -6.380 -15.177 -2.578 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.606 -15.491 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.842 -17.502 -1.646 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -5.468 -17.562 -0.997 1.00 0.00 H new ATOM 610 N ASP A 45 -3.290 -13.706 -1.809 1.00 0.00 N ATOM 611 CA ASP A 45 -2.188 -13.004 -2.445 1.00 0.00 C ATOM 612 C ASP A 45 -1.287 -12.397 -1.368 1.00 0.00 C ATOM 613 O ASP A 45 -1.713 -11.518 -0.620 1.00 0.00 O ATOM 614 CB ASP A 45 -2.698 -11.866 -3.332 1.00 0.00 C ATOM 615 CG ASP A 45 -3.225 -12.300 -4.701 1.00 0.00 C ATOM 616 OD1 ASP A 45 -2.376 -12.620 -5.560 1.00 0.00 O ATOM 617 OD2 ASP A 45 -4.465 -12.302 -4.857 1.00 0.00 O ATOM 0 H ASP A 45 -3.828 -13.145 -1.149 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.640 -13.720 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.494 -11.342 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.889 -11.151 -3.481 1.00 0.00 H new ATOM 622 N GLU A 46 -0.058 -12.889 -1.323 1.00 0.00 N ATOM 623 CA GLU A 46 0.907 -12.406 -0.350 1.00 0.00 C ATOM 624 C GLU A 46 1.601 -11.146 -0.871 1.00 0.00 C ATOM 625 O GLU A 46 2.827 -11.051 -0.844 1.00 0.00 O ATOM 626 CB GLU A 46 1.929 -13.491 -0.005 1.00 0.00 C ATOM 627 CG GLU A 46 1.249 -14.696 0.648 1.00 0.00 C ATOM 628 CD GLU A 46 2.254 -15.822 0.901 1.00 0.00 C ATOM 629 OE1 GLU A 46 2.433 -16.641 -0.026 1.00 0.00 O ATOM 630 OE2 GLU A 46 2.820 -15.839 2.015 1.00 0.00 O ATOM 0 H GLU A 46 0.292 -13.618 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 46 0.373 -12.152 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.448 -13.808 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.683 -13.085 0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.791 -14.394 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.446 -15.058 0.005 1.00 0.00 H new ATOM 637 N GLY A 47 0.786 -10.209 -1.334 1.00 0.00 N ATOM 638 CA GLY A 47 1.306 -8.958 -1.861 1.00 0.00 C ATOM 639 C GLY A 47 1.143 -7.826 -0.845 1.00 0.00 C ATOM 640 O GLY A 47 0.405 -7.963 0.129 1.00 0.00 O ATOM 0 H GLY A 47 -0.230 -10.291 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.360 -9.076 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.784 -8.702 -2.783 1.00 0.00 H new ATOM 644 N ILE A 48 1.843 -6.732 -1.109 1.00 0.00 N ATOM 645 CA ILE A 48 1.785 -5.577 -0.230 1.00 0.00 C ATOM 646 C ILE A 48 0.732 -4.597 -0.752 1.00 0.00 C ATOM 647 O ILE A 48 0.941 -3.940 -1.770 1.00 0.00 O ATOM 648 CB ILE A 48 3.175 -4.957 -0.067 1.00 0.00 C ATOM 649 CG1 ILE A 48 4.107 -5.896 0.701 1.00 0.00 C ATOM 650 CG2 ILE A 48 3.086 -3.576 0.586 1.00 0.00 C ATOM 651 CD1 ILE A 48 3.797 -5.872 2.199 1.00 0.00 C ATOM 0 H ILE A 48 2.453 -6.622 -1.919 1.00 0.00 H new ATOM 0 HA ILE A 48 1.475 -5.876 0.771 1.00 0.00 H new ATOM 0 HB ILE A 48 3.605 -4.817 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.000 -6.912 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.143 -5.601 0.536 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.087 -3.158 0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.481 -2.917 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.627 -3.668 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.474 -6.548 2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.928 -4.860 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.768 -6.191 2.363 1.00 0.00 H new ATOM 663 N PHE A 49 -0.377 -4.530 -0.030 1.00 0.00 N ATOM 664 CA PHE A 49 -1.463 -3.642 -0.407 1.00 0.00 C ATOM 665 C PHE A 49 -1.583 -2.475 0.574 1.00 0.00 C ATOM 666 O PHE A 49 -1.029 -2.523 1.672 1.00 0.00 O ATOM 667 CB PHE A 49 -2.751 -4.466 -0.362 1.00 0.00 C ATOM 668 CG PHE A 49 -2.947 -5.382 -1.571 1.00 0.00 C ATOM 669 CD1 PHE A 49 -1.997 -6.302 -1.889 1.00 0.00 C ATOM 670 CD2 PHE A 49 -4.072 -5.276 -2.329 1.00 0.00 C ATOM 671 CE1 PHE A 49 -2.180 -7.152 -3.011 1.00 0.00 C ATOM 672 CE2 PHE A 49 -4.254 -6.127 -3.452 1.00 0.00 C ATOM 673 CZ PHE A 49 -3.304 -7.047 -3.769 1.00 0.00 C ATOM 0 H PHE A 49 -0.547 -5.077 0.814 1.00 0.00 H new ATOM 0 HA PHE A 49 -1.279 -3.230 -1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.751 -5.072 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.602 -3.788 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.104 -6.386 -1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.826 -4.545 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.426 -7.883 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.147 -6.043 -4.054 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.442 -7.694 -4.623 1.00 0.00 H new ATOM 683 N ILE A 50 -2.309 -1.454 0.144 1.00 0.00 N ATOM 684 CA ILE A 50 -2.509 -0.276 0.972 1.00 0.00 C ATOM 685 C ILE A 50 -3.660 -0.533 1.947 1.00 0.00 C ATOM 686 O ILE A 50 -4.781 -0.815 1.529 1.00 0.00 O ATOM 687 CB ILE A 50 -2.708 0.965 0.099 1.00 0.00 C ATOM 688 CG1 ILE A 50 -1.517 1.172 -0.839 1.00 0.00 C ATOM 689 CG2 ILE A 50 -2.983 2.201 0.958 1.00 0.00 C ATOM 690 CD1 ILE A 50 -0.194 0.953 -0.103 1.00 0.00 C ATOM 0 H ILE A 50 -2.766 -1.418 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.621 -0.076 1.572 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.586 0.806 -0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.588 0.482 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.545 2.181 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.121 3.069 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.885 2.041 1.548 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.139 2.375 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.636 1.106 -0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.115 1.661 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.159 -0.064 0.287 1.00 0.00 H new ATOM 702 N SER A 51 -3.342 -0.425 3.229 1.00 0.00 N ATOM 703 CA SER A 51 -4.335 -0.642 4.267 1.00 0.00 C ATOM 704 C SER A 51 -5.110 0.651 4.527 1.00 0.00 C ATOM 705 O SER A 51 -6.339 0.642 4.577 1.00 0.00 O ATOM 706 CB SER A 51 -3.682 -1.138 5.559 1.00 0.00 C ATOM 707 OG SER A 51 -4.154 -0.430 6.702 1.00 0.00 O ATOM 0 H SER A 51 -2.411 -0.190 3.572 1.00 0.00 H new ATOM 0 HA SER A 51 -5.027 -1.411 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.885 -2.202 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.600 -1.026 5.485 1.00 0.00 H new ATOM 0 HG SER A 51 -3.715 -0.777 7.506 1.00 0.00 H new ATOM 713 N ARG A 52 -4.361 1.732 4.686 1.00 0.00 N ATOM 714 CA ARG A 52 -4.962 3.030 4.940 1.00 0.00 C ATOM 715 C ARG A 52 -4.213 4.122 4.174 1.00 0.00 C ATOM 716 O ARG A 52 -3.038 3.960 3.847 1.00 0.00 O ATOM 717 CB ARG A 52 -4.946 3.362 6.434 1.00 0.00 C ATOM 718 CG ARG A 52 -5.888 4.526 6.747 1.00 0.00 C ATOM 719 CD ARG A 52 -7.326 4.191 6.345 1.00 0.00 C ATOM 720 NE ARG A 52 -8.258 4.584 7.425 1.00 0.00 N ATOM 721 CZ ARG A 52 -8.494 3.847 8.519 1.00 0.00 C ATOM 722 NH1 ARG A 52 -7.867 2.674 8.684 1.00 0.00 N ATOM 723 NH2 ARG A 52 -9.356 4.282 9.448 1.00 0.00 N ATOM 0 H ARG A 52 -3.342 1.735 4.644 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.997 2.988 4.600 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.243 2.485 7.008 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.932 3.617 6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.848 4.754 7.812 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.557 5.419 6.217 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.585 4.711 5.423 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.417 3.123 6.145 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.752 5.472 7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.211 2.343 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.046 2.113 9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.833 5.175 9.323 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.535 3.720 10.280 1.00 0.00 H new ATOM 737 N VAL A 53 -4.923 5.209 3.910 1.00 0.00 N ATOM 738 CA VAL A 53 -4.339 6.327 3.188 1.00 0.00 C ATOM 739 C VAL A 53 -4.682 7.630 3.913 1.00 0.00 C ATOM 740 O VAL A 53 -5.822 8.089 3.866 1.00 0.00 O ATOM 741 CB VAL A 53 -4.808 6.311 1.732 1.00 0.00 C ATOM 742 CG1 VAL A 53 -4.596 7.676 1.073 1.00 0.00 C ATOM 743 CG2 VAL A 53 -4.105 5.206 0.942 1.00 0.00 C ATOM 0 H VAL A 53 -5.897 5.339 4.183 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.252 6.243 3.166 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.877 6.098 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.938 7.638 0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.163 8.433 1.614 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.536 7.930 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.456 5.216 -0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.028 5.374 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.329 4.239 1.392 1.00 0.00 H new ATOM 753 N SER A 54 -3.674 8.190 4.565 1.00 0.00 N ATOM 754 CA SER A 54 -3.854 9.432 5.298 1.00 0.00 C ATOM 755 C SER A 54 -4.493 10.486 4.392 1.00 0.00 C ATOM 756 O SER A 54 -3.861 10.969 3.453 1.00 0.00 O ATOM 757 CB SER A 54 -2.522 9.943 5.850 1.00 0.00 C ATOM 758 OG SER A 54 -1.933 9.021 6.763 1.00 0.00 O ATOM 0 H SER A 54 -2.729 7.807 4.601 1.00 0.00 H new ATOM 0 HA SER A 54 -4.516 9.239 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.834 10.126 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.680 10.898 6.351 1.00 0.00 H new ATOM 0 HG SER A 54 -1.548 8.269 6.266 1.00 0.00 H new ATOM 764 N GLU A 55 -5.738 10.813 4.705 1.00 0.00 N ATOM 765 CA GLU A 55 -6.470 11.801 3.930 1.00 0.00 C ATOM 766 C GLU A 55 -5.617 13.055 3.730 1.00 0.00 C ATOM 767 O GLU A 55 -5.415 13.499 2.600 1.00 0.00 O ATOM 768 CB GLU A 55 -7.802 12.146 4.600 1.00 0.00 C ATOM 769 CG GLU A 55 -8.966 11.446 3.895 1.00 0.00 C ATOM 770 CD GLU A 55 -9.813 12.448 3.108 1.00 0.00 C ATOM 771 OE1 GLU A 55 -9.251 13.050 2.168 1.00 0.00 O ATOM 772 OE2 GLU A 55 -11.002 12.590 3.465 1.00 0.00 O ATOM 0 H GLU A 55 -6.259 10.411 5.485 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.692 11.375 2.951 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.774 11.848 5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.955 13.225 4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.580 10.682 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.589 10.937 4.631 1.00 0.00 H new ATOM 779 N GLU A 56 -5.138 13.591 4.843 1.00 0.00 N ATOM 780 CA GLU A 56 -4.312 14.786 4.804 1.00 0.00 C ATOM 781 C GLU A 56 -2.838 14.418 4.987 1.00 0.00 C ATOM 782 O GLU A 56 -2.311 14.486 6.097 1.00 0.00 O ATOM 783 CB GLU A 56 -4.760 15.798 5.860 1.00 0.00 C ATOM 784 CG GLU A 56 -4.838 17.208 5.270 1.00 0.00 C ATOM 785 CD GLU A 56 -5.293 18.219 6.324 1.00 0.00 C ATOM 786 OE1 GLU A 56 -6.433 18.057 6.810 1.00 0.00 O ATOM 787 OE2 GLU A 56 -4.490 19.130 6.621 1.00 0.00 O ATOM 0 H GLU A 56 -5.306 13.219 5.778 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.431 15.254 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.735 15.510 6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.062 15.788 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.862 17.498 4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.532 17.216 4.429 1.00 0.00 H new ATOM 794 N GLY A 57 -2.214 14.035 3.883 1.00 0.00 N ATOM 795 CA GLY A 57 -0.812 13.656 3.908 1.00 0.00 C ATOM 796 C GLY A 57 -0.185 13.781 2.518 1.00 0.00 C ATOM 797 O GLY A 57 -0.829 14.253 1.583 1.00 0.00 O ATOM 0 H GLY A 57 -2.654 13.979 2.965 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.273 14.290 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.715 12.630 4.264 1.00 0.00 H new ATOM 801 N PRO A 58 1.098 13.340 2.424 1.00 0.00 N ATOM 802 CA PRO A 58 1.819 13.397 1.164 1.00 0.00 C ATOM 803 C PRO A 58 1.337 12.307 0.206 1.00 0.00 C ATOM 804 O PRO A 58 1.228 12.537 -0.997 1.00 0.00 O ATOM 805 CB PRO A 58 3.284 13.250 1.543 1.00 0.00 C ATOM 806 CG PRO A 58 3.296 12.652 2.940 1.00 0.00 C ATOM 807 CD PRO A 58 1.893 12.775 3.511 1.00 0.00 C ATOM 0 HA PRO A 58 1.652 14.330 0.625 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.807 12.604 0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.790 14.215 1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 58 3.604 11.607 2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.013 13.175 3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.506 11.805 3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.878 13.420 4.389 1.00 0.00 H new ATOM 815 N ALA A 59 1.061 11.143 0.776 1.00 0.00 N ATOM 816 CA ALA A 59 0.593 10.016 -0.013 1.00 0.00 C ATOM 817 C ALA A 59 -0.700 10.404 -0.732 1.00 0.00 C ATOM 818 O ALA A 59 -0.726 10.509 -1.958 1.00 0.00 O ATOM 819 CB ALA A 59 0.412 8.797 0.894 1.00 0.00 C ATOM 0 H ALA A 59 1.152 10.956 1.775 1.00 0.00 H new ATOM 0 HA ALA A 59 1.327 9.750 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.061 7.952 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.365 8.544 1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.319 9.026 1.669 1.00 0.00 H new ATOM 825 N ALA A 60 -1.742 10.608 0.060 1.00 0.00 N ATOM 826 CA ALA A 60 -3.036 10.983 -0.485 1.00 0.00 C ATOM 827 C ALA A 60 -2.877 12.236 -1.348 1.00 0.00 C ATOM 828 O ALA A 60 -3.717 12.517 -2.202 1.00 0.00 O ATOM 829 CB ALA A 60 -4.033 11.185 0.658 1.00 0.00 C ATOM 0 H ALA A 60 -1.717 10.521 1.076 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.428 10.191 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.003 11.466 0.249 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.132 10.258 1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.675 11.975 1.318 1.00 0.00 H new ATOM 835 N ARG A 61 -1.793 12.955 -1.097 1.00 0.00 N ATOM 836 CA ARG A 61 -1.513 14.172 -1.840 1.00 0.00 C ATOM 837 C ARG A 61 -0.825 13.838 -3.165 1.00 0.00 C ATOM 838 O ARG A 61 -0.667 14.705 -4.023 1.00 0.00 O ATOM 839 CB ARG A 61 -0.620 15.117 -1.034 1.00 0.00 C ATOM 840 CG ARG A 61 0.179 16.038 -1.958 1.00 0.00 C ATOM 841 CD ARG A 61 0.967 17.073 -1.153 1.00 0.00 C ATOM 842 NE ARG A 61 1.258 18.255 -1.995 1.00 0.00 N ATOM 843 CZ ARG A 61 0.414 19.281 -2.166 1.00 0.00 C ATOM 844 NH1 ARG A 61 -0.779 19.277 -1.555 1.00 0.00 N ATOM 845 NH2 ARG A 61 0.761 20.312 -2.949 1.00 0.00 N ATOM 0 H ARG A 61 -1.098 12.718 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.464 14.668 -2.035 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.233 15.715 -0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.063 14.537 -0.414 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.864 15.445 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.498 16.545 -2.646 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.396 17.374 -0.274 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.898 16.634 -0.794 1.00 0.00 H new ATOM 0 HE ARG A 61 2.157 18.290 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.044 18.493 -0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.421 20.058 -1.685 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.668 20.316 -3.415 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.118 21.093 -3.079 1.00 0.00 H new ATOM 859 N ALA A 62 -0.433 12.578 -3.291 1.00 0.00 N ATOM 860 CA ALA A 62 0.235 12.118 -4.497 1.00 0.00 C ATOM 861 C ALA A 62 -0.793 11.475 -5.429 1.00 0.00 C ATOM 862 O ALA A 62 -0.634 11.504 -6.649 1.00 0.00 O ATOM 863 CB ALA A 62 1.364 11.157 -4.120 1.00 0.00 C ATOM 0 H ALA A 62 -0.565 11.861 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 62 0.685 12.955 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.865 10.812 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.082 11.672 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.951 10.302 -3.585 1.00 0.00 H new ATOM 869 N GLY A 63 -1.824 10.908 -4.821 1.00 0.00 N ATOM 870 CA GLY A 63 -2.878 10.258 -5.581 1.00 0.00 C ATOM 871 C GLY A 63 -2.953 8.766 -5.250 1.00 0.00 C ATOM 872 O GLY A 63 -3.305 7.954 -6.104 1.00 0.00 O ATOM 0 H GLY A 63 -1.952 10.885 -3.809 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.835 10.731 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.696 10.389 -6.648 1.00 0.00 H new ATOM 876 N VAL A 64 -2.616 8.451 -4.008 1.00 0.00 N ATOM 877 CA VAL A 64 -2.641 7.071 -3.554 1.00 0.00 C ATOM 878 C VAL A 64 -4.089 6.651 -3.291 1.00 0.00 C ATOM 879 O VAL A 64 -4.953 7.497 -3.067 1.00 0.00 O ATOM 880 CB VAL A 64 -1.740 6.908 -2.328 1.00 0.00 C ATOM 881 CG1 VAL A 64 -2.398 7.500 -1.081 1.00 0.00 C ATOM 882 CG2 VAL A 64 -1.373 5.439 -2.109 1.00 0.00 C ATOM 0 H VAL A 64 -2.324 9.127 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.245 6.408 -4.323 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.819 7.460 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.736 7.371 -0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.585 8.562 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.342 6.990 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.732 5.351 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.281 4.856 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.844 5.062 -2.984 1.00 0.00 H new ATOM 892 N ARG A 65 -4.308 5.345 -3.328 1.00 0.00 N ATOM 893 CA ARG A 65 -5.636 4.802 -3.097 1.00 0.00 C ATOM 894 C ARG A 65 -5.546 3.506 -2.289 1.00 0.00 C ATOM 895 O ARG A 65 -4.709 2.651 -2.571 1.00 0.00 O ATOM 896 CB ARG A 65 -6.354 4.522 -4.419 1.00 0.00 C ATOM 897 CG ARG A 65 -6.672 5.824 -5.157 1.00 0.00 C ATOM 898 CD ARG A 65 -5.627 6.111 -6.237 1.00 0.00 C ATOM 899 NE ARG A 65 -5.830 7.470 -6.789 1.00 0.00 N ATOM 900 CZ ARG A 65 -6.823 7.801 -7.625 1.00 0.00 C ATOM 901 NH1 ARG A 65 -7.710 6.874 -8.012 1.00 0.00 N ATOM 902 NH2 ARG A 65 -6.929 9.059 -8.075 1.00 0.00 N ATOM 0 H ARG A 65 -3.588 4.647 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.205 5.544 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.731 3.886 -5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.276 3.974 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -7.661 5.757 -5.611 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.703 6.650 -4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.625 6.026 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.702 5.371 -7.034 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.172 8.200 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.629 5.916 -7.670 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.466 7.126 -8.649 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.254 9.764 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.685 9.311 -8.712 1.00 0.00 H new ATOM 916 N VAL A 66 -6.422 3.402 -1.299 1.00 0.00 N ATOM 917 CA VAL A 66 -6.452 2.225 -0.448 1.00 0.00 C ATOM 918 C VAL A 66 -6.724 0.987 -1.306 1.00 0.00 C ATOM 919 O VAL A 66 -7.567 1.021 -2.201 1.00 0.00 O ATOM 920 CB VAL A 66 -7.479 2.414 0.670 1.00 0.00 C ATOM 921 CG1 VAL A 66 -7.703 1.109 1.436 1.00 0.00 C ATOM 922 CG2 VAL A 66 -7.058 3.540 1.616 1.00 0.00 C ATOM 0 H VAL A 66 -7.115 4.113 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.486 2.079 0.036 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.426 2.699 0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.437 1.272 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.069 0.344 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.762 0.781 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.805 3.654 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.094 3.298 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.974 4.472 1.057 1.00 0.00 H new ATOM 932 N GLY A 67 -5.993 -0.075 -1.002 1.00 0.00 N ATOM 933 CA GLY A 67 -6.145 -1.321 -1.734 1.00 0.00 C ATOM 934 C GLY A 67 -5.083 -1.447 -2.829 1.00 0.00 C ATOM 935 O GLY A 67 -4.909 -2.517 -3.410 1.00 0.00 O ATOM 0 H GLY A 67 -5.294 -0.099 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.065 -2.163 -1.046 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.139 -1.366 -2.179 1.00 0.00 H new ATOM 939 N ASP A 68 -4.400 -0.339 -3.076 1.00 0.00 N ATOM 940 CA ASP A 68 -3.360 -0.312 -4.090 1.00 0.00 C ATOM 941 C ASP A 68 -2.358 -1.436 -3.817 1.00 0.00 C ATOM 942 O ASP A 68 -1.844 -1.558 -2.706 1.00 0.00 O ATOM 943 CB ASP A 68 -2.599 1.016 -4.064 1.00 0.00 C ATOM 944 CG ASP A 68 -2.818 1.911 -5.285 1.00 0.00 C ATOM 945 OD1 ASP A 68 -3.095 1.342 -6.363 1.00 0.00 O ATOM 946 OD2 ASP A 68 -2.703 3.143 -5.113 1.00 0.00 O ATOM 0 H ASP A 68 -4.547 0.546 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.835 -0.437 -5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.892 1.568 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.533 0.805 -3.973 1.00 0.00 H new ATOM 951 N LYS A 69 -2.110 -2.228 -4.850 1.00 0.00 N ATOM 952 CA LYS A 69 -1.179 -3.338 -4.736 1.00 0.00 C ATOM 953 C LYS A 69 0.207 -2.884 -5.196 1.00 0.00 C ATOM 954 O LYS A 69 0.510 -2.913 -6.388 1.00 0.00 O ATOM 955 CB LYS A 69 -1.708 -4.560 -5.489 1.00 0.00 C ATOM 956 CG LYS A 69 -0.656 -5.670 -5.539 1.00 0.00 C ATOM 957 CD LYS A 69 -1.063 -6.767 -6.525 1.00 0.00 C ATOM 958 CE LYS A 69 -0.103 -7.956 -6.449 1.00 0.00 C ATOM 959 NZ LYS A 69 1.024 -7.773 -7.391 1.00 0.00 N ATOM 0 H LYS A 69 -2.538 -2.123 -5.770 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.083 -3.650 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.610 -4.930 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.989 -4.274 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.306 -5.251 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.527 -6.099 -4.545 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.078 -7.100 -6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.071 -6.366 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.278 -8.059 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.636 -8.877 -6.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.562 -8.660 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.655 -7.512 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.649 -7.018 -7.042 1.00 0.00 H new ATOM 973 N LEU A 70 1.013 -2.476 -4.226 1.00 0.00 N ATOM 974 CA LEU A 70 2.361 -2.016 -4.517 1.00 0.00 C ATOM 975 C LEU A 70 3.067 -3.048 -5.399 1.00 0.00 C ATOM 976 O LEU A 70 2.818 -4.246 -5.280 1.00 0.00 O ATOM 977 CB LEU A 70 3.110 -1.699 -3.221 1.00 0.00 C ATOM 978 CG LEU A 70 4.270 -0.709 -3.343 1.00 0.00 C ATOM 979 CD1 LEU A 70 3.922 0.429 -4.304 1.00 0.00 C ATOM 980 CD2 LEU A 70 4.693 -0.189 -1.967 1.00 0.00 C ATOM 0 H LEU A 70 0.759 -2.454 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 70 2.333 -1.082 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.395 -1.304 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.496 -2.632 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 70 5.126 -1.236 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.764 1.118 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.708 0.019 -5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.046 0.962 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.519 0.513 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.851 0.316 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.011 -1.025 -1.344 1.00 0.00 H new ATOM 992 N LEU A 71 3.934 -2.544 -6.265 1.00 0.00 N ATOM 993 CA LEU A 71 4.679 -3.407 -7.166 1.00 0.00 C ATOM 994 C LEU A 71 6.173 -3.104 -7.037 1.00 0.00 C ATOM 995 O LEU A 71 6.996 -4.018 -7.019 1.00 0.00 O ATOM 996 CB LEU A 71 4.146 -3.276 -8.595 1.00 0.00 C ATOM 997 CG LEU A 71 2.625 -3.322 -8.750 1.00 0.00 C ATOM 998 CD1 LEU A 71 2.205 -2.922 -10.166 1.00 0.00 C ATOM 999 CD2 LEU A 71 2.075 -4.695 -8.356 1.00 0.00 C ATOM 0 H LEU A 71 4.137 -1.549 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 71 4.541 -4.453 -6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.505 -2.335 -9.011 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.577 -4.076 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 71 2.190 -2.592 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.119 -2.963 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.546 -1.908 -10.374 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.650 -3.609 -10.885 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.992 -4.701 -8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.515 -5.460 -8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.327 -4.903 -7.316 1.00 0.00 H new ATOM 1011 N GLU A 72 6.478 -1.818 -6.951 1.00 0.00 N ATOM 1012 CA GLU A 72 7.859 -1.383 -6.825 1.00 0.00 C ATOM 1013 C GLU A 72 7.954 -0.187 -5.876 1.00 0.00 C ATOM 1014 O GLU A 72 6.942 0.426 -5.541 1.00 0.00 O ATOM 1015 CB GLU A 72 8.456 -1.047 -8.193 1.00 0.00 C ATOM 1016 CG GLU A 72 9.507 -2.081 -8.602 1.00 0.00 C ATOM 1017 CD GLU A 72 8.890 -3.174 -9.476 1.00 0.00 C ATOM 1018 OE1 GLU A 72 8.672 -2.887 -10.673 1.00 0.00 O ATOM 1019 OE2 GLU A 72 8.649 -4.271 -8.928 1.00 0.00 O ATOM 0 H GLU A 72 5.793 -1.063 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 72 8.441 -2.203 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.664 -1.013 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.908 -0.056 -8.163 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.314 -1.589 -9.145 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.948 -2.528 -7.711 1.00 0.00 H new ATOM 1026 N VAL A 73 9.180 0.110 -5.469 1.00 0.00 N ATOM 1027 CA VAL A 73 9.420 1.222 -4.565 1.00 0.00 C ATOM 1028 C VAL A 73 10.835 1.759 -4.790 1.00 0.00 C ATOM 1029 O VAL A 73 11.803 1.202 -4.276 1.00 0.00 O ATOM 1030 CB VAL A 73 9.169 0.786 -3.121 1.00 0.00 C ATOM 1031 CG1 VAL A 73 9.948 1.664 -2.139 1.00 0.00 C ATOM 1032 CG2 VAL A 73 7.673 0.796 -2.797 1.00 0.00 C ATOM 0 H VAL A 73 10.018 -0.400 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 73 8.726 2.037 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 73 9.529 -0.237 -3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.751 1.332 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.015 1.584 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.633 2.702 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.522 0.482 -1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.278 1.803 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.152 0.110 -3.465 1.00 0.00 H new ATOM 1042 N ASN A 74 10.909 2.836 -5.559 1.00 0.00 N ATOM 1043 CA ASN A 74 12.189 3.455 -5.858 1.00 0.00 C ATOM 1044 C ASN A 74 12.987 2.542 -6.791 1.00 0.00 C ATOM 1045 O ASN A 74 14.173 2.770 -7.025 1.00 0.00 O ATOM 1046 CB ASN A 74 13.011 3.663 -4.584 1.00 0.00 C ATOM 1047 CG ASN A 74 13.376 5.137 -4.401 1.00 0.00 C ATOM 1048 OD1 ASN A 74 14.373 5.625 -4.909 1.00 0.00 O ATOM 1049 ND2 ASN A 74 12.515 5.818 -3.650 1.00 0.00 N ATOM 0 H ASN A 74 10.103 3.295 -5.984 1.00 0.00 H new ATOM 0 HA ASN A 74 11.995 4.421 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.444 3.315 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 74 13.920 3.063 -4.631 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.669 6.810 -3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.700 5.348 -3.255 1.00 0.00 H new ATOM 1056 N GLY A 75 12.304 1.527 -7.300 1.00 0.00 N ATOM 1057 CA GLY A 75 12.933 0.579 -8.203 1.00 0.00 C ATOM 1058 C GLY A 75 13.009 -0.813 -7.571 1.00 0.00 C ATOM 1059 O GLY A 75 13.275 -1.797 -8.259 1.00 0.00 O ATOM 0 H GLY A 75 11.321 1.341 -7.104 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.369 0.529 -9.134 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.936 0.923 -8.456 1.00 0.00 H new ATOM 1063 N VAL A 76 12.770 -0.850 -6.269 1.00 0.00 N ATOM 1064 CA VAL A 76 12.807 -2.104 -5.537 1.00 0.00 C ATOM 1065 C VAL A 76 11.499 -2.864 -5.767 1.00 0.00 C ATOM 1066 O VAL A 76 10.416 -2.309 -5.588 1.00 0.00 O ATOM 1067 CB VAL A 76 13.092 -1.838 -4.057 1.00 0.00 C ATOM 1068 CG1 VAL A 76 11.880 -1.206 -3.371 1.00 0.00 C ATOM 1069 CG2 VAL A 76 13.519 -3.122 -3.342 1.00 0.00 C ATOM 0 H VAL A 76 12.550 -0.031 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 76 13.617 -2.735 -5.902 1.00 0.00 H new ATOM 0 HB VAL A 76 13.918 -1.130 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.109 -1.027 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.640 -0.260 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.027 -1.880 -3.447 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.716 -2.906 -2.292 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.723 -3.862 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 76 14.424 -3.514 -3.807 1.00 0.00 H new ATOM 1079 N ALA A 77 11.643 -4.121 -6.160 1.00 0.00 N ATOM 1080 CA ALA A 77 10.486 -4.961 -6.416 1.00 0.00 C ATOM 1081 C ALA A 77 9.874 -5.400 -5.084 1.00 0.00 C ATOM 1082 O ALA A 77 10.505 -6.124 -4.316 1.00 0.00 O ATOM 1083 CB ALA A 77 10.900 -6.149 -7.286 1.00 0.00 C ATOM 0 H ALA A 77 12.543 -4.578 -6.307 1.00 0.00 H new ATOM 0 HA ALA A 77 9.723 -4.406 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.032 -6.779 -7.478 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.301 -5.785 -8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.663 -6.730 -6.769 1.00 0.00 H new ATOM 1089 N LEU A 78 8.653 -4.942 -4.851 1.00 0.00 N ATOM 1090 CA LEU A 78 7.949 -5.278 -3.625 1.00 0.00 C ATOM 1091 C LEU A 78 6.859 -6.307 -3.933 1.00 0.00 C ATOM 1092 O LEU A 78 5.749 -6.215 -3.412 1.00 0.00 O ATOM 1093 CB LEU A 78 7.424 -4.012 -2.944 1.00 0.00 C ATOM 1094 CG LEU A 78 8.485 -3.008 -2.487 1.00 0.00 C ATOM 1095 CD1 LEU A 78 7.863 -1.910 -1.622 1.00 0.00 C ATOM 1096 CD2 LEU A 78 9.638 -3.716 -1.773 1.00 0.00 C ATOM 0 H LEU A 78 8.133 -4.341 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 78 8.630 -5.739 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.747 -3.507 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.834 -4.308 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 78 8.902 -2.525 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 78 8.638 -1.210 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.104 -1.379 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.403 -2.358 -0.741 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.378 -2.980 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.256 -4.243 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 78 10.103 -4.430 -2.452 1.00 0.00 H new ATOM 1108 N GLN A 79 7.215 -7.263 -4.779 1.00 0.00 N ATOM 1109 CA GLN A 79 6.281 -8.308 -5.162 1.00 0.00 C ATOM 1110 C GLN A 79 6.587 -9.599 -4.400 1.00 0.00 C ATOM 1111 O GLN A 79 7.503 -10.336 -4.761 1.00 0.00 O ATOM 1112 CB GLN A 79 6.313 -8.544 -6.674 1.00 0.00 C ATOM 1113 CG GLN A 79 4.979 -9.108 -7.169 1.00 0.00 C ATOM 1114 CD GLN A 79 5.126 -10.571 -7.591 1.00 0.00 C ATOM 1115 OE1 GLN A 79 5.652 -11.403 -6.870 1.00 0.00 O ATOM 1116 NE2 GLN A 79 4.633 -10.838 -8.797 1.00 0.00 N ATOM 0 H GLN A 79 8.137 -7.336 -5.210 1.00 0.00 H new ATOM 0 HA GLN A 79 5.274 -7.983 -4.898 1.00 0.00 H new ATOM 0 HB2 GLN A 79 6.529 -7.607 -7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 79 7.118 -9.236 -6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.231 -9.026 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.620 -8.517 -8.012 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.205 -10.095 -9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.682 -11.786 -9.170 1.00 0.00 H new ATOM 1125 N GLY A 80 5.801 -9.834 -3.359 1.00 0.00 N ATOM 1126 CA GLY A 80 5.976 -11.023 -2.542 1.00 0.00 C ATOM 1127 C GLY A 80 7.136 -10.847 -1.560 1.00 0.00 C ATOM 1128 O GLY A 80 7.775 -11.822 -1.167 1.00 0.00 O ATOM 0 H GLY A 80 5.041 -9.221 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.058 -11.229 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.165 -11.884 -3.183 1.00 0.00 H new ATOM 1132 N ALA A 81 7.373 -9.597 -1.190 1.00 0.00 N ATOM 1133 CA ALA A 81 8.444 -9.281 -0.261 1.00 0.00 C ATOM 1134 C ALA A 81 7.872 -9.181 1.155 1.00 0.00 C ATOM 1135 O ALA A 81 6.734 -8.753 1.340 1.00 0.00 O ATOM 1136 CB ALA A 81 9.139 -7.991 -0.702 1.00 0.00 C ATOM 0 H ALA A 81 6.841 -8.791 -1.517 1.00 0.00 H new ATOM 0 HA ALA A 81 9.195 -10.071 -0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.943 -7.754 -0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.553 -8.124 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.417 -7.175 -0.714 1.00 0.00 H new ATOM 1142 N GLU A 82 8.689 -9.582 2.118 1.00 0.00 N ATOM 1143 CA GLU A 82 8.279 -9.543 3.512 1.00 0.00 C ATOM 1144 C GLU A 82 8.052 -8.097 3.957 1.00 0.00 C ATOM 1145 O GLU A 82 8.570 -7.165 3.343 1.00 0.00 O ATOM 1146 CB GLU A 82 9.308 -10.237 4.406 1.00 0.00 C ATOM 1147 CG GLU A 82 9.346 -11.742 4.131 1.00 0.00 C ATOM 1148 CD GLU A 82 10.788 -12.251 4.067 1.00 0.00 C ATOM 1149 OE1 GLU A 82 11.317 -12.593 5.146 1.00 0.00 O ATOM 1150 OE2 GLU A 82 11.327 -12.286 2.940 1.00 0.00 O ATOM 0 H GLU A 82 9.633 -9.935 1.961 1.00 0.00 H new ATOM 0 HA GLU A 82 7.338 -10.085 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.294 -9.807 4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.063 -10.061 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.804 -12.272 4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.839 -11.956 3.190 1.00 0.00 H new ATOM 1157 N HIS A 83 7.277 -7.954 5.023 1.00 0.00 N ATOM 1158 CA HIS A 83 6.975 -6.637 5.558 1.00 0.00 C ATOM 1159 C HIS A 83 8.265 -5.823 5.675 1.00 0.00 C ATOM 1160 O HIS A 83 8.382 -4.750 5.084 1.00 0.00 O ATOM 1161 CB HIS A 83 6.223 -6.750 6.885 1.00 0.00 C ATOM 1162 CG HIS A 83 5.070 -5.785 7.021 1.00 0.00 C ATOM 1163 ND1 HIS A 83 4.042 -5.709 6.096 1.00 0.00 N ATOM 1164 CD2 HIS A 83 4.792 -4.857 7.982 1.00 0.00 C ATOM 1165 CE1 HIS A 83 3.191 -4.775 6.493 1.00 0.00 C ATOM 1166 NE2 HIS A 83 3.657 -4.248 7.661 1.00 0.00 N ATOM 0 H HIS A 83 6.849 -8.729 5.530 1.00 0.00 H new ATOM 0 HA HIS A 83 6.312 -6.106 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.847 -7.767 6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.923 -6.581 7.703 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.393 -4.653 8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.286 -4.482 5.981 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.207 -3.508 8.200 1.00 0.00 H new ATOM 1174 N HIS A 84 9.202 -6.364 6.441 1.00 0.00 N ATOM 1175 CA HIS A 84 10.479 -5.701 6.643 1.00 0.00 C ATOM 1176 C HIS A 84 11.000 -5.173 5.305 1.00 0.00 C ATOM 1177 O HIS A 84 11.295 -3.986 5.174 1.00 0.00 O ATOM 1178 CB HIS A 84 11.471 -6.634 7.339 1.00 0.00 C ATOM 1179 CG HIS A 84 12.060 -7.690 6.434 1.00 0.00 C ATOM 1180 ND1 HIS A 84 13.266 -7.526 5.776 1.00 0.00 N ATOM 1181 CD2 HIS A 84 11.596 -8.925 6.086 1.00 0.00 C ATOM 1182 CE1 HIS A 84 13.507 -8.619 5.066 1.00 0.00 C ATOM 1183 NE2 HIS A 84 12.471 -9.484 5.259 1.00 0.00 N ATOM 0 H HIS A 84 9.102 -7.254 6.929 1.00 0.00 H new ATOM 0 HA HIS A 84 10.348 -4.845 7.306 1.00 0.00 H new ATOM 0 HB2 HIS A 84 12.281 -6.038 7.760 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.969 -7.124 8.173 1.00 0.00 H new ATOM 0 HD1 HIS A 84 13.867 -6.704 5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.673 -9.372 6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.372 -8.794 4.444 1.00 0.00 H new ATOM 1191 N GLU A 85 11.097 -6.080 4.344 1.00 0.00 N ATOM 1192 CA GLU A 85 11.577 -5.720 3.021 1.00 0.00 C ATOM 1193 C GLU A 85 10.854 -4.470 2.515 1.00 0.00 C ATOM 1194 O GLU A 85 11.491 -3.522 2.060 1.00 0.00 O ATOM 1195 CB GLU A 85 11.410 -6.884 2.042 1.00 0.00 C ATOM 1196 CG GLU A 85 12.433 -7.987 2.321 1.00 0.00 C ATOM 1197 CD GLU A 85 13.047 -8.507 1.020 1.00 0.00 C ATOM 1198 OE1 GLU A 85 13.278 -7.665 0.125 1.00 0.00 O ATOM 1199 OE2 GLU A 85 13.273 -9.734 0.950 1.00 0.00 O ATOM 0 H GLU A 85 10.851 -7.064 4.455 1.00 0.00 H new ATOM 0 HA GLU A 85 12.642 -5.496 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.402 -7.290 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.528 -6.524 1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.220 -7.603 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.952 -8.807 2.854 1.00 0.00 H new ATOM 1206 N ALA A 86 9.533 -4.510 2.612 1.00 0.00 N ATOM 1207 CA ALA A 86 8.717 -3.392 2.171 1.00 0.00 C ATOM 1208 C ALA A 86 9.076 -2.149 2.987 1.00 0.00 C ATOM 1209 O ALA A 86 9.477 -1.129 2.428 1.00 0.00 O ATOM 1210 CB ALA A 86 7.237 -3.761 2.292 1.00 0.00 C ATOM 0 H ALA A 86 9.008 -5.299 2.989 1.00 0.00 H new ATOM 0 HA ALA A 86 8.912 -3.165 1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.625 -2.922 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.027 -4.631 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.004 -3.993 3.331 1.00 0.00 H new ATOM 1216 N VAL A 87 8.920 -2.275 4.297 1.00 0.00 N ATOM 1217 CA VAL A 87 9.223 -1.174 5.196 1.00 0.00 C ATOM 1218 C VAL A 87 10.564 -0.553 4.800 1.00 0.00 C ATOM 1219 O VAL A 87 10.637 0.639 4.505 1.00 0.00 O ATOM 1220 CB VAL A 87 9.194 -1.661 6.646 1.00 0.00 C ATOM 1221 CG1 VAL A 87 9.834 -0.633 7.582 1.00 0.00 C ATOM 1222 CG2 VAL A 87 7.766 -1.988 7.086 1.00 0.00 C ATOM 0 H VAL A 87 8.588 -3.122 4.757 1.00 0.00 H new ATOM 0 HA VAL A 87 8.467 -0.393 5.114 1.00 0.00 H new ATOM 0 HB VAL A 87 9.780 -2.578 6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.801 -1.003 8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.871 -0.470 7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.287 0.308 7.518 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.774 -2.332 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.147 -1.095 7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.358 -2.771 6.446 1.00 0.00 H new ATOM 1232 N GLU A 88 11.592 -1.389 4.807 1.00 0.00 N ATOM 1233 CA GLU A 88 12.926 -0.936 4.452 1.00 0.00 C ATOM 1234 C GLU A 88 12.896 -0.189 3.118 1.00 0.00 C ATOM 1235 O GLU A 88 13.417 0.921 3.012 1.00 0.00 O ATOM 1236 CB GLU A 88 13.908 -2.109 4.402 1.00 0.00 C ATOM 1237 CG GLU A 88 15.015 -1.942 5.444 1.00 0.00 C ATOM 1238 CD GLU A 88 16.304 -1.429 4.798 1.00 0.00 C ATOM 1239 OE1 GLU A 88 16.419 -0.192 4.667 1.00 0.00 O ATOM 1240 OE2 GLU A 88 17.144 -2.286 4.449 1.00 0.00 O ATOM 0 H GLU A 88 11.528 -2.377 5.053 1.00 0.00 H new ATOM 0 HA GLU A 88 13.272 -0.248 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.374 -3.043 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.348 -2.178 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.690 -1.246 6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.205 -2.897 5.934 1.00 0.00 H new ATOM 1247 N ALA A 89 12.282 -0.827 2.132 1.00 0.00 N ATOM 1248 CA ALA A 89 12.177 -0.236 0.809 1.00 0.00 C ATOM 1249 C ALA A 89 11.692 1.209 0.937 1.00 0.00 C ATOM 1250 O ALA A 89 12.215 2.105 0.275 1.00 0.00 O ATOM 1251 CB ALA A 89 11.249 -1.088 -0.059 1.00 0.00 C ATOM 0 H ALA A 89 11.852 -1.748 2.223 1.00 0.00 H new ATOM 0 HA ALA A 89 13.151 -0.214 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.170 -0.644 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.654 -2.096 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.261 -1.131 0.399 1.00 0.00 H new ATOM 1257 N LEU A 90 10.697 1.392 1.793 1.00 0.00 N ATOM 1258 CA LEU A 90 10.135 2.713 2.016 1.00 0.00 C ATOM 1259 C LEU A 90 11.169 3.589 2.726 1.00 0.00 C ATOM 1260 O LEU A 90 11.422 4.719 2.310 1.00 0.00 O ATOM 1261 CB LEU A 90 8.802 2.610 2.761 1.00 0.00 C ATOM 1262 CG LEU A 90 7.625 2.056 1.955 1.00 0.00 C ATOM 1263 CD1 LEU A 90 6.491 1.608 2.879 1.00 0.00 C ATOM 1264 CD2 LEU A 90 7.149 3.070 0.913 1.00 0.00 C ATOM 0 H LEU A 90 10.266 0.647 2.340 1.00 0.00 H new ATOM 0 HA LEU A 90 9.906 3.195 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.946 1.978 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.533 3.602 3.124 1.00 0.00 H new ATOM 0 HG LEU A 90 7.966 1.174 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.667 1.218 2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.854 0.828 3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.143 2.458 3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.312 2.652 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.830 3.984 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.965 3.298 0.228 1.00 0.00 H new ATOM 1276 N ARG A 91 11.740 3.035 3.786 1.00 0.00 N ATOM 1277 CA ARG A 91 12.741 3.752 4.557 1.00 0.00 C ATOM 1278 C ARG A 91 13.845 4.277 3.637 1.00 0.00 C ATOM 1279 O ARG A 91 14.300 5.409 3.791 1.00 0.00 O ATOM 1280 CB ARG A 91 13.363 2.850 5.625 1.00 0.00 C ATOM 1281 CG ARG A 91 12.603 2.962 6.948 1.00 0.00 C ATOM 1282 CD ARG A 91 12.193 1.581 7.464 1.00 0.00 C ATOM 1283 NE ARG A 91 12.931 1.266 8.708 1.00 0.00 N ATOM 1284 CZ ARG A 91 14.237 0.966 8.751 1.00 0.00 C ATOM 1285 NH1 ARG A 91 14.956 0.939 7.621 1.00 0.00 N ATOM 1286 NH2 ARG A 91 14.823 0.693 9.925 1.00 0.00 N ATOM 0 H ARG A 91 11.528 2.098 4.129 1.00 0.00 H new ATOM 0 HA ARG A 91 12.244 4.589 5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.354 1.815 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 91 14.407 3.126 5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 91 13.228 3.460 7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 91 11.716 3.581 6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.120 1.558 7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 91 12.400 0.825 6.707 1.00 0.00 H new ATOM 0 HE ARG A 91 12.414 1.278 9.587 1.00 0.00 H new ATOM 0 HH11 ARG A 91 14.510 1.147 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.950 0.711 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.275 0.713 10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.817 0.465 9.958 1.00 0.00 H new ATOM 1300 N GLY A 92 14.244 3.428 2.700 1.00 0.00 N ATOM 1301 CA GLY A 92 15.285 3.793 1.755 1.00 0.00 C ATOM 1302 C GLY A 92 14.699 4.532 0.550 1.00 0.00 C ATOM 1303 O GLY A 92 14.410 3.920 -0.477 1.00 0.00 O ATOM 0 H GLY A 92 13.865 2.489 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.024 4.424 2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 92 15.806 2.897 1.418 1.00 0.00 H new ATOM 1307 N ALA A 93 14.541 5.836 0.717 1.00 0.00 N ATOM 1308 CA ALA A 93 13.994 6.665 -0.345 1.00 0.00 C ATOM 1309 C ALA A 93 14.089 8.137 0.063 1.00 0.00 C ATOM 1310 O ALA A 93 13.732 8.499 1.183 1.00 0.00 O ATOM 1311 CB ALA A 93 12.556 6.234 -0.640 1.00 0.00 C ATOM 0 H ALA A 93 14.782 6.340 1.571 1.00 0.00 H new ATOM 0 HA ALA A 93 14.567 6.539 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.146 6.855 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.546 5.190 -0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.950 6.349 0.259 1.00 0.00 H new ATOM 1317 N GLY A 94 14.573 8.945 -0.868 1.00 0.00 N ATOM 1318 CA GLY A 94 14.720 10.369 -0.620 1.00 0.00 C ATOM 1319 C GLY A 94 13.385 11.097 -0.794 1.00 0.00 C ATOM 1320 O GLY A 94 12.328 10.468 -0.808 1.00 0.00 O ATOM 0 H GLY A 94 14.869 8.641 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.096 10.529 0.390 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.458 10.787 -1.305 1.00 0.00 H new ATOM 1324 N THR A 95 13.477 12.412 -0.922 1.00 0.00 N ATOM 1325 CA THR A 95 12.290 13.232 -1.095 1.00 0.00 C ATOM 1326 C THR A 95 11.282 12.527 -2.005 1.00 0.00 C ATOM 1327 O THR A 95 10.342 11.895 -1.525 1.00 0.00 O ATOM 1328 CB THR A 95 12.731 14.599 -1.621 1.00 0.00 C ATOM 1329 OG1 THR A 95 13.261 15.258 -0.474 1.00 0.00 O ATOM 1330 CG2 THR A 95 11.549 15.475 -2.042 1.00 0.00 C ATOM 0 H THR A 95 14.355 12.930 -0.909 1.00 0.00 H new ATOM 0 HA THR A 95 11.774 13.384 -0.147 1.00 0.00 H new ATOM 0 HB THR A 95 13.400 14.462 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.573 16.152 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 95 11.918 16.433 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.990 14.976 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.896 15.641 -1.185 1.00 0.00 H new ATOM 1338 N ALA A 96 11.513 12.659 -3.303 1.00 0.00 N ATOM 1339 CA ALA A 96 10.637 12.042 -4.285 1.00 0.00 C ATOM 1340 C ALA A 96 10.738 10.520 -4.167 1.00 0.00 C ATOM 1341 O ALA A 96 11.764 9.934 -4.506 1.00 0.00 O ATOM 1342 CB ALA A 96 11.004 12.544 -5.683 1.00 0.00 C ATOM 0 H ALA A 96 12.294 13.184 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 96 9.599 12.319 -4.101 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.347 12.081 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.888 13.627 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.039 12.282 -5.904 1.00 0.00 H new ATOM 1348 N VAL A 97 9.657 9.923 -3.685 1.00 0.00 N ATOM 1349 CA VAL A 97 9.611 8.481 -3.518 1.00 0.00 C ATOM 1350 C VAL A 97 8.663 7.881 -4.558 1.00 0.00 C ATOM 1351 O VAL A 97 7.445 7.997 -4.433 1.00 0.00 O ATOM 1352 CB VAL A 97 9.218 8.133 -2.080 1.00 0.00 C ATOM 1353 CG1 VAL A 97 8.863 6.650 -1.953 1.00 0.00 C ATOM 1354 CG2 VAL A 97 10.328 8.517 -1.100 1.00 0.00 C ATOM 0 H VAL A 97 8.807 10.412 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 97 10.596 8.046 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 97 8.331 8.713 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.587 6.429 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.025 6.419 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.724 6.044 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.023 8.259 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.240 7.977 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.513 9.589 -1.162 1.00 0.00 H new ATOM 1364 N GLN A 98 9.258 7.253 -5.562 1.00 0.00 N ATOM 1365 CA GLN A 98 8.481 6.635 -6.623 1.00 0.00 C ATOM 1366 C GLN A 98 7.937 5.281 -6.164 1.00 0.00 C ATOM 1367 O GLN A 98 8.690 4.437 -5.681 1.00 0.00 O ATOM 1368 CB GLN A 98 9.315 6.487 -7.898 1.00 0.00 C ATOM 1369 CG GLN A 98 8.437 6.605 -9.145 1.00 0.00 C ATOM 1370 CD GLN A 98 9.176 6.102 -10.386 1.00 0.00 C ATOM 1371 OE1 GLN A 98 9.122 4.937 -10.743 1.00 0.00 O ATOM 1372 NE2 GLN A 98 9.869 7.044 -11.021 1.00 0.00 N ATOM 0 H GLN A 98 10.269 7.159 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 98 7.636 7.284 -6.853 1.00 0.00 H new ATOM 0 HB2 GLN A 98 10.090 7.253 -7.921 1.00 0.00 H new ATOM 0 HB3 GLN A 98 9.821 5.522 -7.896 1.00 0.00 H new ATOM 0 HG2 GLN A 98 7.521 6.030 -9.005 1.00 0.00 H new ATOM 0 HG3 GLN A 98 8.142 7.644 -9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.871 8.001 -10.668 1.00 0.00 H new ATOM 0 HE22 GLN A 98 10.398 6.809 -11.861 1.00 0.00 H new ATOM 1381 N MET A 99 6.633 5.116 -6.330 1.00 0.00 N ATOM 1382 CA MET A 99 5.979 3.879 -5.938 1.00 0.00 C ATOM 1383 C MET A 99 5.036 3.385 -7.037 1.00 0.00 C ATOM 1384 O MET A 99 4.103 4.089 -7.422 1.00 0.00 O ATOM 1385 CB MET A 99 5.187 4.106 -4.649 1.00 0.00 C ATOM 1386 CG MET A 99 6.122 4.219 -3.444 1.00 0.00 C ATOM 1387 SD MET A 99 5.433 3.340 -2.052 1.00 0.00 S ATOM 1388 CE MET A 99 4.129 4.468 -1.588 1.00 0.00 C ATOM 0 H MET A 99 6.012 5.819 -6.731 1.00 0.00 H new ATOM 0 HA MET A 99 6.745 3.121 -5.775 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.592 5.015 -4.739 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.490 3.282 -4.497 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.101 3.811 -3.694 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.270 5.267 -3.185 1.00 0.00 H new ATOM 0 HE1 MET A 99 3.234 3.903 -1.328 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.447 5.059 -0.729 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.908 5.132 -2.423 1.00 0.00 H new ATOM 1398 N ARG A 100 5.312 2.180 -7.512 1.00 0.00 N ATOM 1399 CA ARG A 100 4.500 1.584 -8.559 1.00 0.00 C ATOM 1400 C ARG A 100 3.394 0.722 -7.948 1.00 0.00 C ATOM 1401 O ARG A 100 3.657 -0.373 -7.454 1.00 0.00 O ATOM 1402 CB ARG A 100 5.351 0.721 -9.493 1.00 0.00 C ATOM 1403 CG ARG A 100 4.565 0.327 -10.745 1.00 0.00 C ATOM 1404 CD ARG A 100 5.387 -0.603 -11.639 1.00 0.00 C ATOM 1405 NE ARG A 100 5.377 -0.104 -13.033 1.00 0.00 N ATOM 1406 CZ ARG A 100 6.178 0.868 -13.489 1.00 0.00 C ATOM 1407 NH1 ARG A 100 7.059 1.452 -12.665 1.00 0.00 N ATOM 1408 NH2 ARG A 100 6.099 1.257 -14.769 1.00 0.00 N ATOM 0 H ARG A 100 6.087 1.600 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 100 4.056 2.396 -9.136 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.249 1.267 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.678 -0.176 -8.967 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.637 -0.167 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 100 4.289 1.222 -11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 100 6.412 -0.662 -11.272 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.977 -1.612 -11.602 1.00 0.00 H new ATOM 0 HE ARG A 100 4.719 -0.527 -13.687 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.120 1.156 -11.691 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.669 2.192 -13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.429 0.813 -15.397 1.00 0.00 H new ATOM 0 HH22 ARG A 100 6.709 1.997 -15.116 1.00 0.00 H new ATOM 1422 N VAL A 101 2.179 1.250 -8.000 1.00 0.00 N ATOM 1423 CA VAL A 101 1.032 0.543 -7.457 1.00 0.00 C ATOM 1424 C VAL A 101 0.238 -0.088 -8.603 1.00 0.00 C ATOM 1425 O VAL A 101 0.263 0.409 -9.727 1.00 0.00 O ATOM 1426 CB VAL A 101 0.192 1.490 -6.598 1.00 0.00 C ATOM 1427 CG1 VAL A 101 0.988 1.984 -5.388 1.00 0.00 C ATOM 1428 CG2 VAL A 101 -0.331 2.664 -7.427 1.00 0.00 C ATOM 0 H VAL A 101 1.965 2.159 -8.410 1.00 0.00 H new ATOM 0 HA VAL A 101 1.357 -0.266 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.668 0.932 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.368 2.655 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.288 1.132 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.876 2.517 -5.729 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.925 3.322 -6.792 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.510 3.221 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.951 2.287 -8.240 1.00 0.00 H new ATOM 1438 N TRP A 102 -0.448 -1.174 -8.277 1.00 0.00 N ATOM 1439 CA TRP A 102 -1.248 -1.877 -9.265 1.00 0.00 C ATOM 1440 C TRP A 102 -2.719 -1.546 -9.006 1.00 0.00 C ATOM 1441 O TRP A 102 -3.204 -1.692 -7.885 1.00 0.00 O ATOM 1442 CB TRP A 102 -0.960 -3.380 -9.235 1.00 0.00 C ATOM 1443 CG TRP A 102 -1.374 -4.119 -10.509 1.00 0.00 C ATOM 1444 CD1 TRP A 102 -1.058 -3.819 -11.776 1.00 0.00 C ATOM 1445 CD2 TRP A 102 -2.198 -5.301 -10.588 1.00 0.00 C ATOM 1446 NE1 TRP A 102 -1.617 -4.717 -12.663 1.00 0.00 N ATOM 1447 CE2 TRP A 102 -2.332 -5.647 -11.917 1.00 0.00 C ATOM 1448 CE3 TRP A 102 -2.810 -6.053 -9.570 1.00 0.00 C ATOM 1449 CZ2 TRP A 102 -3.073 -6.753 -12.351 1.00 0.00 C ATOM 1450 CZ3 TRP A 102 -3.548 -7.155 -10.020 1.00 0.00 C ATOM 1451 CH2 TRP A 102 -3.692 -7.517 -11.354 1.00 0.00 C ATOM 0 H TRP A 102 -0.466 -1.584 -7.343 1.00 0.00 H new ATOM 0 HA TRP A 102 -0.990 -1.550 -10.272 1.00 0.00 H new ATOM 0 HB2 TRP A 102 0.107 -3.532 -9.070 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -1.480 -3.822 -8.385 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -0.443 -2.980 -12.067 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -1.523 -4.701 -13.679 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -2.718 -5.801 -8.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -3.162 -7.003 -13.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -4.040 -7.767 -9.278 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -4.279 -8.384 -11.621 1.00 0.00 H new ATOM 1462 N ARG A 103 -3.388 -1.105 -10.061 1.00 0.00 N ATOM 1463 CA ARG A 103 -4.794 -0.751 -9.962 1.00 0.00 C ATOM 1464 C ARG A 103 -5.463 -0.844 -11.335 1.00 0.00 C ATOM 1465 O ARG A 103 -4.791 -0.773 -12.363 1.00 0.00 O ATOM 1466 CB ARG A 103 -4.967 0.666 -9.412 1.00 0.00 C ATOM 1467 CG ARG A 103 -6.046 0.705 -8.328 1.00 0.00 C ATOM 1468 CD ARG A 103 -5.644 1.646 -7.189 1.00 0.00 C ATOM 1469 NE ARG A 103 -6.794 2.495 -6.806 1.00 0.00 N ATOM 1470 CZ ARG A 103 -7.907 2.033 -6.221 1.00 0.00 C ATOM 1471 NH1 ARG A 103 -8.029 0.727 -5.949 1.00 0.00 N ATOM 1472 NH2 ARG A 103 -8.900 2.878 -5.908 1.00 0.00 N ATOM 0 H ARG A 103 -2.982 -0.985 -10.989 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.266 -1.455 -9.276 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.021 1.019 -9.001 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -5.235 1.344 -10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.990 1.035 -8.761 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -6.209 -0.299 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -5.306 1.067 -6.329 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.807 2.271 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.735 3.495 -7.000 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.274 0.084 -6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.877 0.376 -5.504 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.808 3.872 -6.115 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.748 2.526 -5.463 1.00 0.00 H new ATOM 1486 N GLU A 104 -6.778 -1.002 -11.307 1.00 0.00 N ATOM 1487 CA GLU A 104 -7.545 -1.105 -12.536 1.00 0.00 C ATOM 1488 C GLU A 104 -7.983 0.283 -13.007 1.00 0.00 C ATOM 1489 O GLU A 104 -8.415 1.108 -12.203 1.00 0.00 O ATOM 1490 CB GLU A 104 -8.752 -2.028 -12.353 1.00 0.00 C ATOM 1491 CG GLU A 104 -8.995 -2.868 -13.609 1.00 0.00 C ATOM 1492 CD GLU A 104 -10.449 -3.340 -13.680 1.00 0.00 C ATOM 1493 OE1 GLU A 104 -11.272 -2.563 -14.210 1.00 0.00 O ATOM 1494 OE2 GLU A 104 -10.704 -4.467 -13.203 1.00 0.00 O ATOM 0 H GLU A 104 -7.332 -1.061 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.907 -1.543 -13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.586 -2.684 -11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.639 -1.434 -12.131 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.756 -2.281 -14.496 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -8.328 -3.730 -13.609 1.00 0.00 H new